CHEBI:111292 - 4-(1H-benzimidazol-2-ylthio)butanoic acid [2-oxo-2-(4-phenoxyanilino)ethyl] ester

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ChEBI Name 4-(1H-benzimidazol-2-ylthio)butanoic acid [2-oxo-2-(4-phenoxyanilino)ethyl] ester
ChEBI ID CHEBI:111292
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C25H23N3O4S
Net Charge 0
Average Mass 461.535
Monoisotopic Mass 461.14093
InChI InChI=1S/C25H23N3O4S/c29-23(26-18-12-14-20(15-13-18)32-19-7-2-1-3-8-19)17-31-24(30)11-6-16-33-25-27-21-9-4-5-10-22(21)28-25/h1-5,7-10,12-15H,6,11,16-17H2,(H,26,29)(H,27,28)
InChIKey BVCQNERUSOKMJK-UHFFFAOYSA-N
SMILES C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)COC(=O)CCCSC3=NC4=CC=CC=C4N3
ChEBI Ontology
Outgoing 4-(1H-benzimidazol-2-ylthio)butanoic acid [2-oxo-2-(4-phenoxyanilino)ethyl] ester (CHEBI:111292) is a aromatic ether (CHEBI:35618)
Manual Xref Database
LSM-22748 LINCS
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